SCHEMBL12733033

SCHEMBL12733033

Cc1ccc2oc(C(=O)NCCOC3CCCCO3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.46
▸ NPC1 O15118 4/20 0.46
▸ TAS1R3 Q7RTX0 4/20 0.44
▸ TAS1R1 Q7RTX1 4/20 0.44
▸ F12 P00748 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CHRNB2 P17787 1/20 0.40
▸ CHRNA7 P36544 1/20 0.40
▸ CHRNA4 P43681 1/20 0.40
▸ P2RX3 P56373 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12709567 0.87 RAB9A (0.43) RAB9ANPC1TAS1R3TAS1R1HPGD
SCHEMBL1166980 0.78 P2RX3 (0.41) F12HPGDP2RX3
SCHEMBL14747572 0.74 TAS1R3 (0.59) RAB9ANPC1TAS1R3TAS1R1HPGD
SCHEMBL12880511 0.74 P2RX3 (0.39) RAB9ANPC1F12P2RX3MEN1
SCHEMBL15219325 0.72 KDM4E (0.58) TAS1R3TAS1R1HPGDTSHRSMN1; SMN2
SCHEMBL6238132 0.71 TAS1R3 (0.68) RAB9ANPC1TAS1R3TAS1R1F12
SCHEMBL10055649 0.70 MEN1 (0.45) RAB9ANPC1HPGDTSHRMEN1
SCHEMBL15914986 0.70 MEN1 (0.45) RAB9ANPC1MEN1KMT2AKDM4E
SCHEMBL3193244 0.69 MEN1 (0.52) RAB9ANPC1TAS1R3TAS1R1HPGD
SCHEMBL9232831 0.68 KMT2A (0.51) RAB9ANPC1HPGDTSHRSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 — — US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 RAB9A 2453/4885NPC1 4265/4885TAS1R3 213/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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